Basic information
- CAS
2452301-27-6- Standard SMILES
OC[C@H]1O[C@@H](c2cccc(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
OQMQDKPDEZRGNE-PQBVEICXSA-N- Molecular formula
- C23H28O7
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.18350323
Names & identifiers
- Preferred name
- Empagliflozin Impurity 17
- IUPAC
- (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxane-3,4,5-triol
- English name
- Empagliflozin Impurity 17
- Molecular formula
- C23H28O7
- Molecular weight
- 416.47
Names & synonyms
Empagliflozin Impurity 172452301-27-6Empagliflozin Impurity 73(2R,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-(3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triolW5E6MK8XJFSCHEMBL28407049Nitisinone Impurity 3Empagliflozin Impurity ZY4EmpagliflozinDechlorinationImpurity43(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(((S)- tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H -pyran-3,4,5-triol
Database identifiers
- CAS
2452301-27-6- PubChem CID
- 129012007
- UNII
- W5E6MK8XJF
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 648.4 · 648.4±55.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 13.3 · 13.30±0.70(Predicted)
Chemistry & industry
Suppliers30 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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